benzenecarbonitrile; copper(1+); phthalazine; tris(fluoranyl)methanesulfonate

Systemtic Name: benzenecarbonitrile; copper(1+); phthalazine; tris(fluoranyl)methanesulfonate Openeye Name: dicuprous; benzonitrile; phthalazine; trifluoromethanesulfonate CAS Name: benzonitrile; copper(1+); phthalazine; trifluoromethanesulfonate IUPAC Name: benzonitrile; copper(1+); phthalazine; trifluoromethanesulfonate Traditional Name: dicuprous; benzonitrile; phthalazine; ditriflate Formula: C40H28Cu2F6N8O6S2 MolecularWeight: 1021.912739

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.C1=CC=C2C=NN=CC2=C1.C1=CC=C2C=NN=CC2=C1.C1=CC=C2C=NN=CC2=C1.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Cu+].[Cu+]

Isomeric SMILES

C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.C1=CC=C2C=NN=CC2=C1.C1=CC=C2C=NN=CC2=C1.C1=CC=C2C=NN=CC2=C1.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Cu+].[Cu+]

InChI

InChI=1S/3C8H6N2.2C7H5N.2CHF3O3S.2Cu/c3*1-2-4-8-6-10-9-5-7(8)3-1;2*8-6-7-4-2-1-3-5-7;2*2-1(3,4)8(5,6)7;;/h3*1-6H;2*1-5H;2*(H,5,6,7);;/q;;;;;;;2*+1/p-2